2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C16H17N9OS — CID 11474549

IUPAC2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cscn3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H17N9OS/c17-14-20-15(21-16-19-13(22-25(14)16)12-2-1-7-26-12)24-5-3-23(4-6-24)8-11-9-27-10-18-11/h1-2,7,9-10H,3-6,8H2,(H2,17,19,20,21,22)
InChIKeyMZZGPNSBRUSHBV-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.14
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11474549) has the molecular formula C16H17N9OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11474549
Molecular FormulaC16H17N9OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cscn3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H17N9OS/c17-14-20-15(21-16-19-13(22-25(14)16)12-2-1-7-26-12)24-5-3-23(4-6-24)8-11-9-27-10-18-11/h1-2,7,9-10H,3-6,8H2,(H2,17,19,20,21,22)
InChIKeyMZZGPNSBRUSHBV-UHFFFAOYSA-N
XLogP1.14
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11474549) is 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3cscn3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is MZZGPNSBRUSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9OS/c17-14-20-15(21-16-19-13(22-25(14)16)12-2-1-7-26-12)24-5-3-23(4-6-24)8-11-9-27-10-18-11/h1-2,7,9-10H,3-6,8H2,(H2,17,19,20,21,22).
What are the key properties of 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 383.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11474549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).